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2-(6'-CARBOMETHYLHEXYL)-3-(E-1''-OCTEN-7''-OLYL)-4-HYDROXY-CYCLOPENTANONE;(15-DEOXY-19-HYDROXY-PGE-1)
SpectraBase Compound ID BURwRfYXkn0
InChI InChI=1S/C21H36O5/c1-16(22)11-7-3-4-8-12-17-18(20(24)15-19(17)23)13-9-5-6-10-14-21(25)26-2/h8,12,16-19,22-23H,3-7,9-11,13-15H2,1-2H3/b12-8+/t16-,17+,18+,19+/m1/s1
InChIKey FCQXRFYBWKIKIV-CGWFXPDQSA-N
Mol Weight 368.5 g/mol
Molecular Formula C21H36O5
Exact Mass 368.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFmY2uXGW4g
Name 2-(6'-CARBOMETHYLHEXYL)-3-(E-1''-OCTEN-7''-OLYL)-4-HYDROXY-CYCLOPENTANONE;(15-DEOXY-19-HYDROXY-PGE-1)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O5
InChI InChI=1S/C21H36O5/c1-16(22)11-7-3-4-8-12-17-18(20(24)15-19(17)23)13-9-5-6-10-14-21(25)26-2/h8,12,16-19,22-23H,3-7,9-11,13-15H2,1-2H3/b12-8+/t16-,17+,18+,19+/m1/s1
InChIKey FCQXRFYBWKIKIV-CGWFXPDQSA-N
Literature Reference Author H.L.HOLLAND,F.M.BROWN,P.C.CHENCHAIAH,J.A.RAO
Literature Reference Citation CAN.J.CHEM.,68,282(1990)
Literature Reference DOI 10.1139/v90-039
Molecular Weight 368.514 g/mol
Solvent CDCl3
Source File Reference UWED15061